
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  207 ( 1714),  selected  207 , name one
# Molecule2: number of CA atoms  207 ( 1714),  selected  207 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      73_A - 141_A       4.97    18.89
  LCS_AVERAGE:     24.56

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      54_A - 88_A        1.97    18.17
  LCS_AVERAGE:      8.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23     146_A - 168_A       0.95    27.44
  LCS_AVERAGE:      5.70

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  207
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A      3    8   17      3    3    3    3    4    5    7   10   13   14   14   15   16   18   21   24   26   27   31   31 
LCS_GDT     I     2_A     I     2_A      7    8   17      5    6    7    7    7    8    9   12   13   14   14   15   16   18   21   24   26   27   31   31 
LCS_GDT     D     3_A     D     3_A      7    8   17      5    6    7    7    7    8   11   12   13   14   14   15   16   18   21   24   26   36   36   38 
LCS_GDT     P     4_A     P     4_A      7    8   17      5    6    7    7    7    8   11   12   13   14   14   17   17   26   29   32   35   37   41   62 
LCS_GDT     F     5_A     F     5_A      7    8   17      5    6    7    7    7    8   11   12   15   19   22   25   28   36   43   48   54   55   63   65 
LCS_GDT     T     6_A     T     6_A      7    8   17      5    6    7    7    7    8   11   12   13   14   14   15   16   21   24   33   54   55   63   65 
LCS_GDT     W     7_A     W     7_A      7    8   17      3    6    7    7    7    8   11   12   13   14   15   17   18   20   24   25   49   53   57   64 
LCS_GDT     G     8_A     G     8_A      7    8   17      3    4    7    7    7    8   11   19   25   27   29   31   39   50   54   65   68   78   82   85 
LCS_GDT     F     9_A     F     9_A      3    8   17      3    3    3    4    7    8    9   10   13   14   14   31   39   42   54   65   68   78   82   89 
LCS_GDT     G    10_A     G    10_A      4    6   17      3    3    5    5    6    8   11   12   13   14   27   31   39   50   56   65   68   79   85   95 
LCS_GDT     G    11_A     G    11_A      4    6   17      3    4    5    6    6   12   23   26   32   37   41   47   53   58   66   73   82   86   93   98 
LCS_GDT     S    12_A     S    12_A      4    6   17      3    4    5    5    8   17   23   28   33   38   45   49   55   61   70   77   82   86   93   98 
LCS_GDT     S    13_A     S    13_A      4    6   17      3    4    5    5   12   13   19   23   25   27   34   39   43   52   62   71   75   81   89   95 
LCS_GDT     K    14_A     K    14_A      5    6   23      3    4    5    6    9   14   19   23   25   30   36   39   42   50   56   67   73   81   89   95 
LCS_GDT     E    15_A     E    15_A      5    6   23      3    4    5    7   12   15   19   23   25   30   36   39   43   50   59   67   74   83   89   97 
LCS_GDT     K    16_A     K    16_A      5    6   23      3    4    5    7   12   15   19   23   25   30   40   44   52   60   68   72   81   86   93   98 
LCS_GDT     P    17_A     P    17_A      5   15   23      4    4    5    7   12   15   19   27   29   35   40   44   55   62   71   77   81   86   93   98 
LCS_GDT     N    18_A     N    18_A     14   15   24      4    8   13   14   15   17   17   20   25   35   40   44   45   56   64   71   76   83   93   98 
LCS_GDT     Y    19_A     Y    19_A     14   15   24      7   11   13   14   15   17   17   20   23   26   40   44   45   50   57   68   76   82   93   98 
LCS_GDT     D    20_A     D    20_A     14   15   24      4   11   13   14   15   17   17   18   19   23   25   28   31   35   38   44   60   67   75   84 
LCS_GDT     Y    21_A     Y    21_A     14   15   24      7   11   13   14   15   17   17   18   18   27   35   39   41   54   61   69   75   82   87   90 
LCS_GDT     S    22_A     S    22_A     14   15   24      7   11   13   14   15   17   17   18   18   19   21   24   28   32   35   40   43   56   63   70 
LCS_GDT     A    23_A     A    23_A     14   15   24      7   11   13   14   15   17   17   18   18   19   21   24   28   33   44   49   53   58   67   72 
LCS_GDT     D    24_A     D    24_A     14   15   24      6   11   13   14   15   17   19   24   28   32   37   42   46   58   61   69   75   82   87   91 
LCS_GDT     K    25_A     K    25_A     14   15   24      6   11   13   14   15   17   17   18   21   24   25   30   38   47   50   55   62   65   69   77 
LCS_GDT     K    26_A     K    26_A     14   15   24      7   11   13   14   15   17   17   18   18   19   20   27   28   38   41   43   47   59   63   67 
LCS_GDT     L    27_A     L    27_A     14   15   24      7   11   13   14   15   17   17   18   21   24   26   33   38   47   52   57   62   73   78   88 
LCS_GDT     I    28_A     I    28_A     14   15   24      7   11   13   14   15   17   17   18   19   24   26   33   43   47   52   57   62   65   69   84 
LCS_GDT     E    29_A     E    29_A     14   15   24      7   11   13   14   15   17   17   18   19   22   24   30   34   38   41   48   53   59   63   68 
LCS_GDT     I    30_A     I    30_A     14   15   24      6   11   13   14   15   17   17   18   18   22   24   30   34   38   41   43   53   59   63   71 
LCS_GDT     N    31_A     N    31_A     14   15   24      4    8   13   14   15   17   17   18   19   22   24   30   34   43   46   51   56   64   66   71 
LCS_GDT     T    32_A     T    32_A      5   15   24      4    4    5    7    7   14   15   16   16   19   23   30   34   38   41   43   47   51   62   63 
LCS_GDT     R    33_A     R    33_A      5    8   24      4    4    5    7    7    9   13   16   18   19   23   30   34   38   41   43   47   52   62   63 
LCS_GDT     P    34_A     P    34_A      5    8   24      4    4    5    7    7    9   13   16   18   20   23   30   34   38   41   48   53   56   62   71 
LCS_GDT     I    35_A     I    35_A      5    8   24      4    4    5    7    7   13   16   18   19   39   41   43   52   56   63   69   73   78   84   88 
LCS_GDT     S    36_A     S    36_A      5    8   24      4    4    5    7   12   17   27   34   40   40   49   52   57   62   67   72   81   86   89   95 
LCS_GDT     T    37_A     T    37_A      5    8   24      4    4    5   10   16   20   28   34   40   44   49   55   59   63   68   72   81   86   89   97 
LCS_GDT     D    38_A     D    38_A      4    7   24      4    4    5   10   17   20   26   32   39   46   52   56   62   67   72   77   81   86   93   98 
LCS_GDT     N    39_A     N    39_A      4    7   24      4    8   10   14   19   23   29   34   42   50   56   61   65   68   73   77   82   86   93   98 
LCS_GDT     A    40_A     A    40_A      4    6   47      3    5    5   10   19   22   27   32   40   48   54   61   65   68   73   77   82   86   93   98 
LCS_GDT     K    41_A     K    41_A      4    5   54      3    5    5    5   20   27   36   42   45   50   55   61   65   68   73   77   82   86   93   98 
LCS_GDT     Y    42_A     Y    42_A      4    5   54      3    3    4    4    9   13   27   43   48   56   58   61   67   70   73   77   82   86   93   98 
LCS_GDT     W    43_A     W    43_A      3    5   54      3    4    5    5   10   15   28   29   48   56   58   61   67   70   72   77   82   86   91   97 
LCS_GDT     C    44_A     C    44_A      3    5   54      3    4    7   13   18   27   33   38   45   54   56   61   65   68   71   77   80   86   92   97 
LCS_GDT     F    45_A     F    45_A      4    5   54      3    5    6    6    7    8   13   17   25   28   36   39   47   53   58   67   70   74   83   86 
LCS_GDT     D    46_A     D    46_A      4    5   54      3    5    6    6   12   15   19   23   27   31   40   44   49   55   60   67   71   79   83   86 
LCS_GDT     K    47_A     K    47_A      4    5   54      3    5    6    7    8   15   17   23   25   31   36   44   47   53   58   66   68   79   83   86 
LCS_GDT     G    48_A     G    48_A      4    5   54      3    5    6    6    7    9   13   19   23   28   34   37   37   41   43   53   58   67   72   75 
LCS_GDT     N    49_A     N    49_A      3    5   56      3    3    4    7   10   17   21   27   36   40   45   52   58   63   66   72   80   86   91   97 
LCS_GDT     D    50_A     D    50_A      3    5   56      3    3    4    6    8   13   19   23   32   39   45   52   55   60   66   72   80   86   91   97 
LCS_GDT     L    51_A     L    51_A      3    5   56      3    9   17   23   28   32   38   43   48   56   58   61   67   70   73   77   82   86   93   98 
LCS_GDT     G    52_A     G    52_A      3    5   56      3    6   17   23   28   29   33   38   47   54   56   61   65   68   71   77   80   86   92   97 
LCS_GDT     C    53_A     C    53_A      3    5   56      3    4    9   16   23   32   39   44   49   56   58   62   67   70   73   77   82   86   93   98 
LCS_GDT     L    54_A     L    54_A      3   35   56      3    3    5    8   29   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     S    55_A     S    55_A     22   35   56     11   18   22   28   32   37   40   46   51   55   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     L    56_A     L    56_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   91   97 
LCS_GDT     E    57_A     E    57_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     K    58_A     K    58_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     L    59_A     L    59_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   98 
LCS_GDT     E    60_A     E    60_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     A    61_A     A    61_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     L    62_A     L    62_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     E    63_A     E    63_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     S    64_A     S    64_A     22   35   56     11   18   22   27   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     K    65_A     K    65_A     22   35   56     11   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     D    66_A     D    66_A     22   35   56      4   15   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     L    67_A     L    67_A     22   35   56      8   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     K    68_A     K    68_A     22   35   56      8   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     K    69_A     K    69_A     22   35   56      8   16   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     V    70_A     V    70_A     22   35   56      8   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     V    71_A     V    71_A     22   35   56      8   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     K    72_A     K    72_A     22   35   56      8   14   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   97 
LCS_GDT     F    73_A     F    73_A     22   35   69      8   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   92   98 
LCS_GDT     Y    74_A     Y    74_A     22   35   69      8   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     E    75_A     E    75_A     22   35   69      7   18   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     K    76_A     K    76_A     22   35   69      4   14   22   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     T    77_A     T    77_A     14   35   69      7   12   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     I    78_A     I    78_A     14   35   69      7   12   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     P    79_A     P    79_A     14   35   69      5   12   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     E    80_A     E    80_A     14   35   69      5   12   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     Y    81_A     Y    81_A     14   35   69      7   12   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     C    82_A     C    82_A     14   35   69      7   14   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     Y    83_A     Y    83_A     14   35   69      7   16   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     D    84_A     D    84_A     13   35   69      5   10   18   27   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     K    85_A     K    85_A     13   35   69      5   16   17   20   30   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     K    86_A     K    86_A      6   35   69      3    5   11   20   30   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     F    87_A     F    87_A      5   35   69      3    5    8   13   26   37   40   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     A    88_A     A    88_A      5   35   69      4   10   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     P    89_A     P    89_A      5   32   69      3    5    5   11   13   21   36   43   50   54   58   63   67   70   73   77   82   86   93   98 
LCS_GDT     A    90_A     A    90_A      5    7   69      3    5    6   10   14   20   26   33   41   52   58   63   67   70   73   77   82   86   93   98 
LCS_GDT     C    91_A     C    91_A      5    7   69      4   10   21   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     N    92_A     N    92_A      5    7   69      3    5    8   20   30   36   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     I    93_A     I    93_A      4    7   69      3    4   10   16   26   34   40   45   50   56   58   63   67   70   73   77   82   86   93   98 
LCS_GDT     P    94_A     P    94_A      4   15   69      3    7   19   28   32   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     A    95_A     A    95_A      5   15   69      3    4   17   28   31   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     I    96_A     I    96_A      5   15   69      3    4    7   12   22   34   42   46   50   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     D    97_A     D    97_A      5   15   69      3    4    6   13   15   20   23   32   48   56   58   63   67   70   73   77   82   86   92   98 
LCS_GDT     L    98_A     L    98_A     11   15   69      3    9   11   23   30   37   38   44   51   53   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     I    99_A     I    99_A     11   15   69      7   10   12   17   22   26   33   40   48   53   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     Q   100_A     Q   100_A     11   15   69      7   10   12   13   21   25   31   37   46   52   59   63   67   70   72   77   82   86   93   98 
LCS_GDT     Q   101_A     Q   101_A     11   15   69      7   10   12   19   25   31   38   44   51   55   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     K   102_A     K   102_A     11   15   69      7   10   12   14   18   22   30   37   42   47   54   57   63   68   72   77   81   86   93   98 
LCS_GDT     L   103_A     L   103_A     11   15   69      7   10   12   14   17   21   30   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     S   104_A     S   104_A     11   15   69      7   10   12   14   22   25   30   37   42   47   54   57   63   68   72   77   81   86   93   98 
LCS_GDT     Y   105_A     Y   105_A     11   15   69      7   10   12   14   18   22   30   37   42   47   54   57   63   68   72   77   81   86   93   98 
LCS_GDT     Y   106_A     Y   106_A     11   15   69      7   10   12   14   17   21   30   34   40   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     V   107_A     V   107_A     11   15   69      7   10   12   14   17   25   30   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     R   108_A     R   108_A     11   15   69      7   10   12   14   17   23   30   37   42   47   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     N   109_A     N   109_A      3    4   69      3    7   11   17   22   25   31   37   45   51   54   57   63   68   72   77   81   86   93   98 
LCS_GDT     D   110_A     D   110_A      3    4   69      3    3    3    8   17   21   28   35   42   47   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     I   111_A     I   111_A      3    5   69      3    3    3    5   17   21   29   37   42   47   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     D   112_A     D   112_A      3    5   69      3    3    3    4    7   12   28   35   42   47   51   55   61   68   72   77   81   86   91   98 
LCS_GDT     N   113_A     N   113_A      3    5   69      3    4    6   12   18   22   29   37   42   47   51   56   62   68   72   77   81   86   93   98 
LCS_GDT     K   114_A     K   114_A      3    6   69      3    4    4    8   14   21   29   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     T   115_A     T   115_A      9   18   69      4    7   14   20   24   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     I   116_A     I   116_A     11   18   69      4   11   17   20   26   30   31   37   42   46   54   56   62   68   72   77   81   86   93   98 
LCS_GDT     K   117_A     K   117_A     14   18   69      4    5    7   17   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     T   118_A     T   118_A     14   19   69      7   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     F   119_A     F   119_A     14   19   69     13   16   17   20   26   30   31   36   42   46   54   56   62   68   72   77   81   86   93   98 
LCS_GDT     Y   120_A     Y   120_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     S   121_A     S   121_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     D   122_A     D   122_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     Y   123_A     Y   123_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     A   124_A     A   124_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     K   125_A     K   125_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     A   126_A     A   126_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     L   127_A     L   127_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   82   86   93   98 
LCS_GDT     S   128_A     S   128_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   81   86   93   98 
LCS_GDT     E   129_A     E   129_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   82   86   93   98 
LCS_GDT     S   130_A     S   130_A     14   19   69     13   16   17   20   26   30   31   37   42   46   54   57   62   68   72   77   82   86   93   98 
LCS_GDT     K   131_A     K   131_A     14   19   69      5    9   15   18   26   30   31   40   47   53   58   63   67   70   73   77   82   86   93   98 
LCS_GDT     A   132_A     A   132_A     10   19   69      5    9   10   14   22   33   40   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     D   133_A     D   133_A     10   19   69      5    9   10   19   30   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     V   134_A     V   134_A     10   19   69      6    9   10   14   21   36   42   46   50   56   58   63   67   70   73   77   82   86   93   98 
LCS_GDT     K   135_A     K   135_A     10   19   69     13   16   17   20   26   30   42   46   50   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     M   136_A     M   136_A     10   19   69      6   12   15   18   30   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     L   137_A     L   137_A     10   11   69      6    9   10   21   30   36   43   46   50   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     E   138_A     E   138_A     10   11   69      6    9   10   14   28   36   42   46   50   56   58   63   67   70   73   77   82   86   93   98 
LCS_GDT     Y   139_A     Y   139_A     10   11   69      6    9   16   21   30   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     G   140_A     G   140_A     10   11   69      4    9   15   23   30   37   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     C   141_A     C   141_A      5   11   69      3    4    7   16   26   33   43   46   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     N   142_A     N   142_A      5    6   68      4    5   11   17   25   31   39   44   51   55   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     E   143_A     E   143_A      5    6   49      4    4    7   16   22   25   31   42   46   55   59   63   66   70   72   77   82   86   93   98 
LCS_GDT     L   144_A     L   144_A      5    6   49      4    4    7    8   13   25   32   42   47   55   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     K   145_A     K   145_A      5   28   49      4    4    7    7   26   30   31   42   47   55   59   63   67   70   72   77   82   86   93   98 
LCS_GDT     S   146_A     S   146_A     23   31   49      7   18   22   24   28   29   31   44   51   56   59   63   67   70   73   77   82   86   93   98 
LCS_GDT     A   147_A     A   147_A     23   31   50      9   18   22   28   32   37   40   45   51   55   59   63   66   70   72   77   82   86   90   97 
LCS_GDT     Y   148_A     Y   148_A     23   31   51      9   18   22   23   32   37   38   45   51   55   59   63   66   70   72   77   82   86   90   97 
LCS_GDT     I   149_A     I   149_A     23   31   51     10   18   22   24   28   29   31   32   34   36   47   53   57   63   66   70   74   79   84   88 
LCS_GDT     C   150_A     C   150_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   53   55   62   64   70   73   76   80   83 
LCS_GDT     R   151_A     R   151_A     23   31   51      9   18   22   24   28   29   31   32   34   36   42   45   53   58   64   68   72   76   80   83 
LCS_GDT     D   152_A     D   152_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   52   56   60   65   72   75   79 
LCS_GDT     L   153_A     L   153_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     R   154_A     R   154_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     D   155_A     D   155_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     M   156_A     M   156_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     Y   157_A     Y   157_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   56   60   64   69   73   77 
LCS_GDT     K   158_A     K   158_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     Y   159_A     Y   159_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     L   160_A     L   160_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   55   59   64   68   73   77 
LCS_GDT     G   161_A     G   161_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   55   59   64   68   73   77 
LCS_GDT     D   162_A     D   162_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   54   59   62   68   73   77 
LCS_GDT     K   163_A     K   163_A     23   31   51     13   18   22   24   28   29   31   32   34   36   38   43   47   50   55   59   64   69   73   77 
LCS_GDT     E   164_A     E   164_A     23   31   51     12   16   22   24   28   29   31   32   34   35   38   42   45   50   52   54   61   67   73   76 
LCS_GDT     K   165_A     K   165_A     23   31   51     12   16   22   24   28   29   31   32   34   36   38   43   47   50   54   59   64   69   73   77 
LCS_GDT     T   166_A     T   166_A     23   31   51     12   17   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     K   167_A     K   167_A     23   31   51     12   16   22   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     E   168_A     E   168_A     23   31   51     12   16   21   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   73   77 
LCS_GDT     Y   169_A     Y   169_A     21   31   51     12   16   21   24   28   29   31   32   34   36   38   43   47   50   56   60   65   69   74   79 
LCS_GDT     N   170_A     N   170_A     21   31   51     12   16   21   24   28   29   31   32   34   36   38   43   47   52   56   65   68   72   76   79 
LCS_GDT     D   171_A     D   171_A     21   31   51     12   16   21   24   28   29   31   32   34   36   38   43   47   57   61   65   69   73   76   80 
LCS_GDT     K   172_A     K   172_A     21   31   51     12   16   21   24   27   29   31   32   34   36   38   53   55   58   62   67   72   75   80   85 
LCS_GDT     M   173_A     M   173_A     21   31   51     12   16   21   24   27   29   31   32   37   43   47   53   59   65   69   73   76   81   84   88 
LCS_GDT     K   174_A     K   174_A     21   31   51     10   16   21   24   28   29   35   38   42   47   51   56   60   65   69   73   76   81   84   88 
LCS_GDT     N   175_A     N   175_A     21   31   51      5   16   21   24   26   29   31   32   38   44   50   60   65   67   72   74   82   84   89   93 
LCS_GDT     G   176_A     G   176_A     21   31   51      6   16   21   24   25   29   31   33   40   48   55   62   65   68   73   77   82   86   92   97 
LCS_GDT     D   177_A     D   177_A      7   29   51      5    6    8    9   11   20   26   29   31   34   37   40   45   55   65   75   80   86   92   98 
LCS_GDT     E   178_A     E   178_A      7   10   51      5    6    8    9   11   21   25   29   36   42   53   59   65   68   71   77   81   86   93   98 
LCS_GDT     K   179_A     K   179_A      7   10   51      5    6    8    9   11   12   15   21   25   32   37   40   51   53   68   72   81   86   93   98 
LCS_GDT     W   180_A     W   180_A      7   10   51      5    6    8    9   11   12   15   22   29   34   37   40   44   50   64   71   76   80   91   98 
LCS_GDT     N   181_A     N   181_A      7   10   51      4    6    8   10   15   21   27   31   41   49   54   61   65   68   73   77   82   86   93   98 
LCS_GDT     S   182_A     S   182_A      7   10   51      5    5    9   11   11   17   23   30   35   42   48   54   61   67   71   76   81   86   91   98 
LCS_GDT     V   183_A     V   183_A      5    9   51      5    5    6   12   13   19   26   30   35   42   46   50   57   64   70   73   81   86   92   98 
LCS_GDT     L   184_A     L   184_A      5    6   51      5    5    6    7    8   19   26   30   35   42   48   54   60   64   71   76   81   86   92   98 
LCS_GDT     Y   185_A     Y   185_A      5    6   51      5    5    7   16   21   23   26   30   36   42   48   54   63   68   71   77   81   86   93   98 
LCS_GDT     D   186_A     D   186_A      5    6   51      5    5    6    7   17   22   26   30   36   42   49   55   64   68   71   76   81   86   92   98 
LCS_GDT     Y   187_A     Y   187_A      4    6   51      4    4    5   16   20   23   26   29   31   34   39   47   54   61   68   72   80   84   92   97 
LCS_GDT     K   188_A     K   188_A      4    5   51      4    4    5   16   20   23   30   37   44   50   56   62   65   68   73   77   82   86   92   98 
LCS_GDT     H   189_A     H   189_A      4    5   51      4    4    6    9   16   21   26   35   44   49   56   61   65   68   73   77   82   86   93   98 
LCS_GDT     M   190_A     M   190_A      4    5   51      4    4    6    8   10   17   26   32   40   49   54   61   65   68   71   76   81   86   92   98 
LCS_GDT     R   191_A     R   191_A      4    5   51      4    4   10   14   20   27   36   42   45   54   56   61   65   68   73   77   82   86   93   98 
LCS_GDT     Y   192_A     Y   192_A      4    5   51      4    4    4   10   16   28   36   42   45   54   56   61   65   68   73   77   82   86   93   98 
LCS_GDT     I   193_A     I   193_A      5    5   51      3    5    7   10   15   21   30   31   37   39   45   49   54   56   62   67   72   84   91   94 
LCS_GDT     H   194_A     H   194_A      5    5   51      3    4    5    6    8   20   30   31   35   39   44   46   53   56   59   66   72   84   91   94 
LCS_GDT     G   195_A     G   195_A      5    5   51      3    4    5    6    8   10   12   25   29   34   37   40   44   52   55   60   68   80   91   93 
LCS_GDT     G   196_A     G   196_A      5   12   51      3    4    5    9   11   11   16   21   27   34   37   40   44   46   48   51   58   66   71   79 
LCS_GDT     Y   197_A     Y   197_A     10   12   51      3    6   10   10   11   11   12   17   21   25   32   38   42   46   48   51   52   54   57   69 
LCS_GDT     S   198_A     S   198_A     10   12   51      5    9   10   10   11   11   12   13   20   24   33   40   44   46   48   51   52   54   58   69 
LCS_GDT     S   199_A     S   199_A     10   12   49      5    9   10   10   11   11   12   13   13   15   19   19   21   23   30   31   35   41   49   53 
LCS_GDT     W   200_A     W   200_A     10   12   17      3    9   10   10   11   11   12   13   13   14   15   17   21   24   28   35   39   44   48   54 
LCS_GDT     W   201_A     W   201_A     10   12   17      4    9   10   10   11   11   12   13   15   18   22   25   30   37   44   47   52   54   54   55 
LCS_GDT     L   202_A     L   202_A     10   12   17      5    9   10   10   11   11   12   13   14   15   19   20   22   25   27   32   37   42   49   53 
LCS_GDT     L   203_A     L   203_A     10   12   17      5    9   10   10   11   11   12   13   13   15   19   20   22   25   25   29   31   36   38   39 
LCS_GDT     E   204_A     E   204_A     10   12   17      5    9   10   10   11   11   12   13   14   15   19   20   22   25   27   29   31   36   38   51 
LCS_GDT     K   205_A     K   205_A     10   12   17      5    9   10   10   11   11   12   13   13   15   19   20   22   25   27   29   31   41   45   51 
LCS_GDT     I   206_A     I   206_A     10   12   17      3    9   10   10   11   11   12   13   13   14   15   17   22   25   25   26   28   30   35   38 
LCS_GDT     K   207_A     K   207_A     10   12   17      3    3    3   10   11   11   12   13   13   14   19   20   22   25   25   26   29   36   38   39 
LCS_AVERAGE  LCS_A:  13.04  (   5.70    8.85   24.56 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     13     18     22     28     32     37     43     46     51     56     59     63     67     70     73     77     82     86     93     98 
GDT PERCENT_AT   6.28   8.70  10.63  13.53  15.46  17.87  20.77  22.22  24.64  27.05  28.50  30.43  32.37  33.82  35.27  37.20  39.61  41.55  44.93  47.34
GDT RMS_LOCAL    0.22   0.54   0.80   1.36   1.50   1.93   2.23   2.40   2.71   3.02   3.31   3.50   3.81   3.96   4.45   4.63   5.24   5.68   6.31   6.56
GDT RMS_ALL_AT  26.99  27.63  27.48  18.20  18.18  18.31  18.37  18.36  18.30  18.68  18.39  18.35  18.52  18.44  18.56  18.55  18.39  18.86  18.68  18.56

# Checking swapping
#   possible swapping detected:  F     5_A      F     5_A
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  Y    19_A      Y    19_A
#   possible swapping detected:  D    20_A      D    20_A
#   possible swapping detected:  Y    21_A      Y    21_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  F    45_A      F    45_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  Y    74_A      Y    74_A
#   possible swapping detected:  E    75_A      E    75_A
#   possible swapping detected:  Y    81_A      Y    81_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  Y   105_A      Y   105_A
#   possible swapping detected:  D   112_A      D   112_A
#   possible swapping detected:  Y   120_A      Y   120_A
#   possible swapping detected:  Y   139_A      Y   139_A
#   possible swapping detected:  E   143_A      E   143_A
#   possible swapping detected:  D   152_A      D   152_A
#   possible swapping detected:  Y   157_A      Y   157_A
#   possible swapping detected:  E   168_A      E   168_A
#   possible swapping detected:  Y   169_A      Y   169_A
#   possible swapping detected:  D   171_A      D   171_A
#   possible swapping detected:  D   177_A      D   177_A
#   possible swapping detected:  Y   185_A      Y   185_A
#   possible swapping detected:  Y   187_A      Y   187_A
#   possible swapping detected:  Y   197_A      Y   197_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    44.961     0    0.214   0.214    45.186    0.000    0.000
LGA    I     2_A      I     2_A    44.003     0    0.044   1.138    46.279    0.000    0.000
LGA    D     3_A      D     3_A    42.835     0    0.245   0.956    43.433    0.000    0.000
LGA    P     4_A      P     4_A    40.652     0    0.049   0.092    43.749    0.000    0.000
LGA    F     5_A      F     5_A    37.449     0    0.075   1.288    38.939    0.000    0.000
LGA    T     6_A      T     6_A    35.188     0    0.188   0.174    37.692    0.000    0.000
LGA    W     7_A      W     7_A    34.664     0    0.025   1.126    41.999    0.000    0.000
LGA    G     8_A      G     8_A    29.051     0    0.715   0.715    31.324    0.000    0.000
LGA    F     9_A      F     9_A    24.835     0    0.029   1.192    26.673    0.000    0.000
LGA    G    10_A      G    10_A    20.419     0    0.188   0.188    21.670    0.000    0.000
LGA    G    11_A      G    11_A    17.369     0    0.647   0.647    18.422    0.000    0.000
LGA    S    12_A      S    12_A    17.985     0    0.054   0.093    20.404    0.000    0.000
LGA    S    13_A      S    13_A    21.187     0    0.024   0.574    22.655    0.000    0.000
LGA    K    14_A      K    14_A    20.475     0    0.627   0.853    22.187    0.000    0.000
LGA    E    15_A      E    15_A    20.217     0    0.094   0.775    22.324    0.000    0.000
LGA    K    16_A      K    16_A    19.181     0    0.085   0.578    26.113    0.000    0.000
LGA    P    17_A      P    17_A    17.271     0    0.012   0.345    19.582    0.000    0.000
LGA    N    18_A      N    18_A    21.230     0    0.072   0.877    23.923    0.000    0.000
LGA    Y    19_A      Y    19_A    20.626     0    0.031   1.229    21.862    0.000    0.000
LGA    D    20_A      D    20_A    24.623     0    0.073   1.071    29.684    0.000    0.000
LGA    Y    21_A      Y    21_A    20.864     0    0.025   0.167    22.915    0.000    0.000
LGA    S    22_A      S    22_A    27.469     0    0.026   0.092    30.418    0.000    0.000
LGA    A    23_A      A    23_A    24.876     0    0.031   0.035    25.650    0.000    0.000
LGA    D    24_A      D    24_A    19.058     0    0.063   1.027    20.985    0.000    0.000
LGA    K    25_A      K    25_A    24.532     0    0.039   0.824    29.924    0.000    0.000
LGA    K    26_A      K    26_A    28.658     0    0.025   1.015    36.213    0.000    0.000
LGA    L    27_A      L    27_A    23.194     0    0.062   1.311    24.675    0.000    0.000
LGA    I    28_A      I    28_A    22.857     0    0.073   0.217    26.431    0.000    0.000
LGA    E    29_A      E    29_A    30.433     0    0.078   0.640    36.224    0.000    0.000
LGA    I    30_A      I    30_A    30.633     0    0.197   1.348    31.427    0.000    0.000
LGA    N    31_A      N    31_A    25.129     0    0.648   0.941    26.621    0.000    0.000
LGA    T    32_A      T    32_A    29.349     0    0.065   0.081    31.834    0.000    0.000
LGA    R    33_A      R    33_A    29.281     0    0.136   1.314    29.318    0.000    0.000
LGA    P    34_A      P    34_A    28.383     0    0.027   0.053    31.967    0.000    0.000
LGA    I    35_A      I    35_A    22.591     0    0.093   0.144    24.883    0.000    0.000
LGA    S    36_A      S    36_A    21.571     0    0.191   0.575    21.579    0.000    0.000
LGA    T    37_A      T    37_A    19.955     0    0.197   0.188    24.126    0.000    0.000
LGA    D    38_A      D    38_A    16.556     0    0.609   0.594    21.202    0.000    0.000
LGA    N    39_A      N    39_A     9.312     0    0.378   1.341    12.034    2.500    6.012
LGA    A    40_A      A    40_A    11.153     0    0.079   0.091    13.018    0.000    0.000
LGA    K    41_A      K    41_A    11.494     0    0.499   0.768    17.575    0.238    0.106
LGA    Y    42_A      Y    42_A     7.298     0    0.523   1.304     8.736    8.333   12.659
LGA    W    43_A      W    43_A     6.596     0    0.271   0.900    11.179   10.000   13.265
LGA    C    44_A      C    44_A    10.479     0    0.508   1.094    14.390    0.714    0.476
LGA    F    45_A      F    45_A    17.781     0    0.572   1.323    22.912    0.000    0.000
LGA    D    46_A      D    46_A    19.521     0    0.607   1.105    22.108    0.000    0.000
LGA    K    47_A      K    47_A    21.200     0    0.283   0.384    22.167    0.000    0.000
LGA    G    48_A      G    48_A    22.034     0    0.326   0.326    22.034    0.000    0.000
LGA    N    49_A      N    49_A    14.990     0    0.375   1.156    17.370    0.000    0.000
LGA    D    50_A      D    50_A    13.400     0    0.663   1.256    19.180    0.119    0.060
LGA    L    51_A      L    51_A     7.100     0    0.501   0.557     9.515    7.619   16.250
LGA    G    52_A      G    52_A     8.501     0    0.282   0.282     8.501    7.738    7.738
LGA    C    53_A      C    53_A     6.503     0    0.539   0.495     9.605   22.976   17.063
LGA    L    54_A      L    54_A     3.088     0    0.600   0.613     9.250   52.500   32.619
LGA    S    55_A      S    55_A     3.949     0    0.609   0.960     7.930   53.810   39.921
LGA    L    56_A      L    56_A     2.836     0    0.060   1.377     3.343   57.262   58.333
LGA    E    57_A      E    57_A     3.058     0    0.027   0.902     6.804   55.476   38.942
LGA    K    58_A      K    58_A     2.419     0    0.033   1.366     9.741   69.048   43.704
LGA    L    59_A      L    59_A     1.143     0    0.024   0.094     2.579   86.190   76.607
LGA    E    60_A      E    60_A     1.280     0    0.052   0.833     6.723   79.286   54.444
LGA    A    61_A      A    61_A     1.114     0    0.024   0.025     1.427   83.690   83.238
LGA    L    62_A      L    62_A     1.071     0    0.049   0.125     2.420   81.786   76.310
LGA    E    63_A      E    63_A     2.128     0    0.019   0.210     3.175   63.333   63.280
LGA    S    64_A      S    64_A     2.749     0    0.076   0.089     3.249   57.262   59.841
LGA    K    65_A      K    65_A     2.948     0    0.088   0.648     3.747   53.690   52.540
LGA    D    66_A      D    66_A     2.221     0    0.134   0.224     2.300   66.786   65.774
LGA    L    67_A      L    67_A     2.362     0    0.023   1.383     5.634   66.786   54.881
LGA    K    68_A      K    68_A     2.399     0    0.086   0.702     5.032   68.810   53.545
LGA    K    69_A      K    69_A     1.390     0    0.063   0.627     4.887   81.548   69.471
LGA    V    70_A      V    70_A     0.822     0    0.018   0.058     2.242   90.595   84.286
LGA    V    71_A      V    71_A     1.582     0    0.010   0.056     3.040   81.548   71.156
LGA    K    72_A      K    72_A     1.415     0    0.009   1.121     8.797   81.429   50.106
LGA    F    73_A      F    73_A     1.834     0    0.042   1.184     9.540   72.976   39.134
LGA    Y    74_A      Y    74_A     1.744     0    0.110   0.682     2.740   71.071   73.294
LGA    E    75_A      E    75_A     1.170     0    0.080   0.751     4.200   81.429   63.810
LGA    K    76_A      K    76_A     1.064     0    0.221   0.677     2.267   79.286   83.704
LGA    T    77_A      T    77_A     1.377     0    0.087   1.065     2.502   81.429   75.510
LGA    I    78_A      I    78_A     1.313     0    0.025   0.746     1.819   81.429   80.357
LGA    P    79_A      P    79_A     1.131     0    0.052   0.135     1.369   81.429   84.014
LGA    E    80_A      E    80_A     1.539     0    0.113   0.835     5.528   77.143   60.476
LGA    Y    81_A      Y    81_A     1.282     0    0.019   1.573     8.056   81.429   53.889
LGA    C    82_A      C    82_A     1.179     0    0.274   0.824     3.464   83.690   77.698
LGA    Y    83_A      Y    83_A     1.319     0    0.075   1.243     8.053   77.143   49.643
LGA    D    84_A      D    84_A     2.451     0    0.023   0.210     4.118   60.952   52.202
LGA    K    85_A      K    85_A     3.532     0    0.644   1.209     7.705   48.452   37.989
LGA    K    86_A      K    86_A     3.550     0    0.089   0.622     5.738   45.000   39.630
LGA    F    87_A      F    87_A     3.918     0    0.583   0.988     8.380   37.857   26.494
LGA    A    88_A      A    88_A     2.302     0    0.436   0.422     3.441   70.833   66.667
LGA    P    89_A      P    89_A     5.250     0    0.020   0.082     7.630   27.262   22.517
LGA    A    90_A      A    90_A     6.384     0    0.105   0.104     8.268   25.238   21.143
LGA    C    91_A      C    91_A     2.255     0    0.607   0.566     3.050   65.119   62.540
LGA    N    92_A      N    92_A     3.188     0    0.477   1.373     8.013   55.833   35.357
LGA    I    93_A      I    93_A     4.790     0    0.614   0.777    11.767   47.143   25.893
LGA    P    94_A      P    94_A     1.039     0    0.071   0.091     3.145   70.952   65.102
LGA    A    95_A      A    95_A     2.373     0    0.537   0.505     3.698   64.881   60.571
LGA    I    96_A      I    96_A     4.746     0    0.074   0.738    10.756   42.024   22.440
LGA    D    97_A      D    97_A     5.129     0    0.037   1.092    11.115   32.976   17.738
LGA    L    98_A      L    98_A     5.897     0    0.220   1.202     8.377   20.119   15.714
LGA    I    99_A      I    99_A     7.138     0    0.134   1.290     8.904   11.548    9.107
LGA    Q   100_A      Q   100_A     8.078     0    0.014   1.124     9.302    5.833    5.873
LGA    Q   101_A      Q   101_A     6.158     0    0.101   0.313     8.264   11.548   23.915
LGA    K   102_A      K   102_A    10.310     0    0.100   1.038    18.880    1.190    0.529
LGA    L   103_A      L   103_A    13.459     0    0.067   1.050    16.029    0.000    0.000
LGA    S   104_A      S   104_A    12.147     0    0.010   0.053    13.772    0.000    0.000
LGA    Y   105_A      Y   105_A    12.636     0    0.011   1.453    15.959    0.000    0.000
LGA    Y   106_A      Y   106_A    18.448     0    0.064   1.564    20.821    0.000    0.000
LGA    V   107_A      V   107_A    19.279     0    0.032   0.068    20.381    0.000    0.000
LGA    R   108_A      R   108_A    16.255     0    0.616   1.329    17.662    0.000    0.000
LGA    N   109_A      N   109_A    12.636     0    0.183   1.021    14.416    0.000    1.845
LGA    D   110_A      D   110_A    18.876     0    0.347   0.353    21.339    0.000    0.000
LGA    I   111_A      I   111_A    18.199     0    0.667   1.374    19.155    0.000    0.000
LGA    D   112_A      D   112_A    17.899     0    0.490   1.143    18.818    0.000    0.000
LGA    N   113_A      N   113_A    16.824     0    0.270   0.288    18.229    0.000    0.000
LGA    K   114_A      K   114_A    16.632     0    0.617   0.914    20.430    0.000    0.000
LGA    T   115_A      T   115_A    21.438     0    0.578   1.405    25.585    0.000    0.000
LGA    I   116_A      I   116_A    20.843     0    0.098   1.249    22.657    0.000    0.000
LGA    K   117_A      K   117_A    21.315     0    0.037   1.041    22.099    0.000    0.000
LGA    T   118_A      T   118_A    22.267     0    0.174   1.107    24.520    0.000    0.000
LGA    F   119_A      F   119_A    20.739     0    0.018   1.287    23.280    0.000    0.000
LGA    Y   120_A      Y   120_A    19.143     0    0.031   0.698    19.957    0.000    0.000
LGA    S   121_A      S   121_A    19.991     0    0.027   0.691    21.078    0.000    0.000
LGA    D   122_A      D   122_A    19.517     0    0.014   0.119    22.323    0.000    0.000
LGA    Y   123_A      Y   123_A    16.978     0    0.031   0.541    18.024    0.000    0.000
LGA    A   124_A      A   124_A    15.980     0    0.014   0.023    16.604    0.000    0.000
LGA    K   125_A      K   125_A    16.500     0    0.015   0.972    23.731    0.000    0.000
LGA    A   126_A      A   126_A    15.149     0    0.013   0.023    15.790    0.000    0.000
LGA    L   127_A      L   127_A    12.176     0    0.012   1.385    13.555    0.000    0.000
LGA    S   128_A      S   128_A    12.439     0    0.091   0.684    13.562    0.000    0.000
LGA    E   129_A      E   129_A    12.688     0    0.109   0.211    17.364    0.000    0.000
LGA    S   130_A      S   130_A    10.281     0    0.449   0.750    11.271    0.476    1.508
LGA    K   131_A      K   131_A     6.808     0    0.343   0.356     8.341   17.024   12.011
LGA    A   132_A      A   132_A     4.246     0    0.051   0.051     4.994   43.929   42.571
LGA    D   133_A      D   133_A     2.636     0    0.033   0.236     3.104   53.571   54.464
LGA    V   134_A      V   134_A     4.804     0    0.057   0.073     6.896   34.405   27.075
LGA    K   135_A      K   135_A     4.896     0    0.036   1.034    13.616   34.286   19.153
LGA    M   136_A      M   136_A     2.889     0    0.078   1.329     3.382   55.357   59.345
LGA    L   137_A      L   137_A     3.268     0    0.036   0.176     3.821   46.667   46.667
LGA    E   138_A      E   138_A     4.324     0    0.126   0.221     6.918   40.238   29.048
LGA    Y   139_A      Y   139_A     2.805     0    0.272   1.088     8.380   55.476   36.944
LGA    G   140_A      G   140_A     1.927     0    0.473   0.473     4.884   58.571   58.571
LGA    C   141_A      C   141_A     3.988     0    0.469   0.887     7.707   38.333   31.984
LGA    N   142_A      N   142_A     5.608     0    0.145   1.189     8.456   17.738   22.679
LGA    E   143_A      E   143_A     7.813     0    0.043   1.095     9.239    7.262    6.402
LGA    L   144_A      L   144_A     7.289     0    0.096   1.374     9.830    9.524    6.845
LGA    K   145_A      K   145_A     7.543     0    0.444   1.064    13.278   11.071    5.238
LGA    S   146_A      S   146_A     5.271     0    0.589   0.527     7.544   24.286   20.238
LGA    A   147_A      A   147_A     4.870     0    0.024   0.027     7.922   27.500   28.286
LGA    Y   148_A      Y   148_A     5.607     0    0.052   1.324     9.460   15.357   30.675
LGA    I   149_A      I   149_A    10.473     0    0.037   0.143    13.868    1.190    0.595
LGA    C   150_A      C   150_A    12.569     0    0.041   0.829    15.851    0.000    0.000
LGA    R   151_A      R   151_A    13.956     0    0.066   1.496    17.103    0.000    0.000
LGA    D   152_A      D   152_A    16.180     0    0.010   1.072    19.959    0.000    0.000
LGA    L   153_A      L   153_A    19.900     0    0.026   0.085    22.763    0.000    0.000
LGA    R   154_A      R   154_A    21.058     0    0.014   1.564    24.291    0.000    0.000
LGA    D   155_A      D   155_A    22.866     0    0.008   0.076    26.147    0.000    0.000
LGA    M   156_A      M   156_A    25.557     0    0.021   0.632    28.970    0.000    0.000
LGA    Y   157_A      Y   157_A    28.431     0    0.064   0.160    31.255    0.000    0.000
LGA    K   158_A      K   158_A    29.726     0    0.024   0.819    32.942    0.000    0.000
LGA    Y   159_A      Y   159_A    31.675     0    0.098   1.323    35.125    0.000    0.000
LGA    L   160_A      L   160_A    34.998     0    0.065   0.117    37.918    0.000    0.000
LGA    G   161_A      G   161_A    37.082     0    0.043   0.043    38.094    0.000    0.000
LGA    D   162_A      D   162_A    34.853     0    0.109   0.141    35.126    0.000    0.000
LGA    K   163_A      K   163_A    33.654     0    0.031   0.624    40.831    0.000    0.000
LGA    E   164_A      E   164_A    32.225     0    0.019   0.686    37.678    0.000    0.000
LGA    K   165_A      K   165_A    28.396     0    0.017   0.873    30.213    0.000    0.000
LGA    T   166_A      T   166_A    25.848     0    0.013   0.028    28.432    0.000    0.000
LGA    K   167_A      K   167_A    24.925     0    0.043   0.625    26.669    0.000    0.000
LGA    E   168_A      E   168_A    22.542     0    0.017   1.012    26.168    0.000    0.000
LGA    Y   169_A      Y   169_A    18.625     0    0.099   1.288    20.482    0.000    0.000
LGA    N   170_A      N   170_A    17.389     0    0.009   1.136    19.951    0.000    0.000
LGA    D   171_A      D   171_A    15.900     0    0.025   1.076    20.510    0.000    0.000
LGA    K   172_A      K   172_A    12.741     0    0.022   0.875    19.327    0.119    0.053
LGA    M   173_A      M   173_A     9.716     0    0.108   0.871    11.201    2.619    1.488
LGA    K   174_A      K   174_A     9.746     0    0.131   0.246    19.447    3.214    1.429
LGA    N   175_A      N   175_A     7.625     0    0.161   1.127    10.696    7.262    4.524
LGA    G   176_A      G   176_A     6.875     0    0.574   0.574     7.691   10.238   10.238
LGA    D   177_A      D   177_A    11.526     0    0.058   1.091    17.268    0.119    0.060
LGA    E   178_A      E   178_A    14.235     0    0.016   1.420    19.386    0.000    0.000
LGA    K   179_A      K   179_A    19.167     0    0.117   0.515    28.286    0.000    0.000
LGA    W   180_A      W   180_A    14.922     0    0.251   0.635    21.837    0.000    0.000
LGA    N   181_A      N   181_A    11.395     0    0.525   0.892    13.223    0.000    0.179
LGA    S   182_A      S   182_A    16.850     0    0.611   0.811    21.428    0.000    0.000
LGA    V   183_A      V   183_A    15.826     0    0.085   1.309    17.229    0.000    0.000
LGA    L   184_A      L   184_A    15.343     0    0.114   0.152    17.282    0.000    0.000
LGA    Y   185_A      Y   185_A    12.883     0    0.271   0.199    17.562    0.000    0.000
LGA    D   186_A      D   186_A    11.985     0    0.609   0.869    13.678    0.000    0.000
LGA    Y   187_A      Y   187_A    11.450     0    0.128   1.162    16.362    0.238    0.079
LGA    K   188_A      K   188_A     7.045     0    0.174   1.108     8.127    7.976   13.228
LGA    H   189_A      H   189_A    11.012     0    0.587   0.693    18.265    0.357    0.143
LGA    M   190_A      M   190_A    13.662     0    0.045   1.033    18.734    0.000    0.000
LGA    R   191_A      R   191_A    11.648     0    0.220   0.713    12.588    0.000    0.000
LGA    Y   192_A      Y   192_A    11.067     0    0.597   0.526    13.275    0.000    0.079
LGA    I   193_A      I   193_A    17.713     0    0.035   0.057    22.709    0.000    0.000
LGA    H   194_A      H   194_A    16.107     0    0.238   0.952    18.210    0.000    0.000
LGA    G   195_A      G   195_A    16.861     0    0.197   0.197    17.606    0.000    0.000
LGA    G   196_A      G   196_A    18.959     0    0.618   0.618    21.863    0.000    0.000
LGA    Y   197_A      Y   197_A    22.212     0    0.105   0.351    28.094    0.000    0.000
LGA    S   198_A      S   198_A    19.930     0    0.175   0.285    22.598    0.000    0.000
LGA    S   199_A      S   199_A    24.783     0    0.081   0.090    26.895    0.000    0.000
LGA    W   200_A      W   200_A    24.338     0    0.082   1.164    31.834    0.000    0.000
LGA    W   201_A      W   201_A    23.433     0    0.068   1.219    26.623    0.000    0.000
LGA    L   202_A      L   202_A    28.035     0    0.034   0.054    31.755    0.000    0.000
LGA    L   203_A      L   203_A    31.988     0    0.073   0.113    34.737    0.000    0.000
LGA    E   204_A      E   204_A    31.194     0    0.077   0.897    33.362    0.000    0.000
LGA    K   205_A      K   205_A    32.939     0    0.179   0.875    37.111    0.000    0.000
LGA    I   206_A      I   206_A    38.667     0    0.043   0.172    42.407    0.000    0.000
LGA    K   207_A      K   207_A    40.880     0    0.405   1.431    45.253    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      207     828    828  100.00    1714   1714  100.00               207
SUMMARY(RMSD_GDC):    16.789         16.769                 17.280           17.530   15.117

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  207  207    4.0     46    2.40    20.411    18.069     1.841

LGA_LOCAL      RMSD:   2.399  Number of atoms:   46  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.360  Number of assigned atoms:  207 
Std_ASGN_ATOMS RMSD:  16.789  Standard rmsd on all 207 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.903790 * X  +  -0.188861 * Y  +   0.384052 * Z  +  -8.012363
  Y_new =   0.139185 * X  +   0.718878 * Y  +   0.681059 * Z  +  -5.971455
  Z_new =  -0.404712 * X  +   0.668989 * Y  +  -0.623428 * Z  +   7.821770 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.988791  0.416664  2.320957   [DEG:  171.2451   23.8731  132.9810 ]
ZXZ:  2.628138  2.243916 -0.544059   [DEG:  150.5812  128.5669  -31.1723 ]
 
# END of job
